SCHEMBL3744003

SCHEMBL3744003

CC(C)(C)OC(=O)c1ccc(F)c(O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 5/20 0.46
CA14 Q9ULX7 5/20 0.46
CA12 O43570 4/20 0.46
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
HSD17B14 Q9BPX1 4/20 0.45
CA7 P43166 3/20 0.44
XDH P47989 2/20 0.44
GABRA1 P14867 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
HSD17B1 P14061 3/20 0.44
HSD17B2 P37059 3/20 0.44
SLC7A5 Q01650 1/20 0.40
SERPINE1 P05121 1/20 0.40
CA3 P07451 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21228090 0.87 CA12 (0.56) CA9CA14CA12CA1CA2
SCHEMBL31587898 0.86 CA12 (0.46) CA9CA14CA12CA1CA2
SCHEMBL30208191 0.86 CES2 (0.53) CA9CA14CA12CA1CA2
SCHEMBL4208340 0.86 CES2 (0.53) CA9CA14CA12CA1CA2
SCHEMBL39054 0.84 CA12 (0.63) CA9CA14CA12CA1CA2
SCHEMBL4024106 0.83 HTR7 (0.46) CA9CA14CA12CA1CA2
SCHEMBL23093930 0.81 ALOX15 (0.50) CA9CA14CA12CA1CA2
SCHEMBL4203797 0.81 MAPT (0.48) CA9CA14CA12CA1CA2
SCHEMBL30208125 0.81 MAPT (0.48) CA9CA14CA12CA1CA2
SCHEMBL2609000 0.81 NOTUM (0.46) CA9CA14CA12CA1CA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919854-B1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBVIE INC (US) 2013-09-18 EP disclosed
US-7834012-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
CN-101263107-A Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LAB (US) 2008-09-10 CN disclosed
EP-1919854-A2 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LABORATORIES (US) 2008-05-14 EP disclosed
US-7205409-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2007-04-17 US disclosed
WO-2007027651-A2 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LABORATORIES (US) 2007-03-08 WO disclosed
US-20070049596-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2007-03-01 US disclosed
US-20050131019-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2005-06-16 US disclosed
WO-2005023762-A1 PYRROLIDINE-2-CARBONITRILE DERIVATIVES AND THEIR USE AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LABORATORIES (US) 2005-03-17 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050131019-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 CA9 829/4885CA14 1464/4885CA12 2859/4885
US-20070049596-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 CA9 1000/4885CA14 1753/4885CA12 3308/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.